[3-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C17H14N2O4S/c1-12-5-7-16(8-6-12)24(21,22)23-15-4-2-3-13(10-15)9-14(11-18)17(19)20/h2-10H,1H3,(H2,19,20)/b14-9+